5-acetyl-1-(4-methylpiperazin-4-ium-1-yl)pyrimidine-2,4-dione

C11H17N4O3+ — CID 6987062

IUPAC5-acetyl-1-(4-methylpiperazin-4-ium-1-yl)pyrimidine-2,4-dione
SMILESCC(=O)c1cn(N2CC[NH+](C)CC2)c(=O)[nH]c1=O
InChIInChI=1S/C11H16N4O3/c1-8(16)9-7-15(11(18)12-10(9)17)14-5-3-13(2)4-6-14/h7H,3-6H2,1-2H3,(H,12,17,18)/p+1
InChIKeyOWJOUBFGQOWSDS-UHFFFAOYSA-O
MW253.28 g/mol
LogP-2.79
Rot. Bonds2

About 5-acetyl-1-(4-methylpiperazin-4-ium-1-yl)pyrimidine-2,4-dione

5-acetyl-1-(4-methylpiperazin-4-ium-1-yl)pyrimidine-2,4-dione (PubChem CID 6987062) has the molecular formula C11H17N4O3+ and a molecular weight of 253.28 g/mol. Its IUPAC name is 5-acetyl-1-(4-methylpiperazin-4-ium-1-yl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-acetyl-1-(4-methylpiperazin-4-ium-1-yl)pyrimidine-2,4-dione
PubChem CID6987062
Molecular FormulaC11H17N4O3+
Molecular Weight253.28 g/mol
Exact Mass253.13
IUPAC Name5-acetyl-1-(4-methylpiperazin-4-ium-1-yl)pyrimidine-2,4-dione
SMILESCC(=O)c1cn(N2CC[NH+](C)CC2)c(=O)[nH]c1=O
InChIInChI=1S/C11H16N4O3/c1-8(16)9-7-15(11(18)12-10(9)17)14-5-3-13(2)4-6-14/h7H,3-6H2,1-2H3,(H,12,17,18)/p+1
InChIKeyOWJOUBFGQOWSDS-UHFFFAOYSA-O
XLogP-2.79
TPSA79.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 5-2.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-acetyl-1-piperidino-2,4(1H,3H)-pyrimidinedione
CID 3778177
5-acetyl-1-(4-methylpiperazino)-2,4(1H,3H)-pyrimidinedione
CID 1483601
5-Ethyl-1-(2-piperazin-1-ylethyl)pyrimidine-2,4-dione
CID 66329123
5-Ethyl-1-(3-oxo-3-piperazin-1-ylpropyl)pyrimidine-2,4-dione
CID 66329516
5-acetyl-3-(1-piperidin-1-ylpropan-2-yl)-1H-pyrimidine-2,4-dione
CID 80642777
5-acetyl-3-[2-(diethylamino)ethyl]-1H-pyrimidine-2,4-dione
CID 80643120
5-acetyl-3-(2-piperidin-1-ylethyl)-1H-pyrimidine-2,4-dione
CID 80643126
5-acetyl-3-[2-(dimethylamino)ethyl]-1H-pyrimidine-2,4-dione
CID 80643261
5-acetyl-3-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-pyrimidine-2,4-dione
CID 80643355
5-acetyl-3-(1-methylpiperidin-3-yl)-1H-pyrimidine-2,4-dione
CID 80643417
5-acetyl-3-(1-ethylpiperidin-3-yl)-1H-pyrimidine-2,4-dione
CID 80643419
5-acetyl-3-[(1-methylpiperidin-2-yl)methyl]-1H-pyrimidine-2,4-dione
CID 80643489

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-1-(4-methylpiperazin-4-ium-1-yl)pyrimidine-2,4-dione?
The IUPAC name of 5-acetyl-1-(4-methylpiperazin-4-ium-1-yl)pyrimidine-2,4-dione (CID 6987062) is 5-acetyl-1-(4-methylpiperazin-4-ium-1-yl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-acetyl-1-(4-methylpiperazin-4-ium-1-yl)pyrimidine-2,4-dione?
The canonical SMILES for 5-acetyl-1-(4-methylpiperazin-4-ium-1-yl)pyrimidine-2,4-dione is CC(=O)c1cn(N2CC[NH+](C)CC2)c(=O)[nH]c1=O.
What is the InChIKey of 5-acetyl-1-(4-methylpiperazin-4-ium-1-yl)pyrimidine-2,4-dione?
The InChIKey is OWJOUBFGQOWSDS-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H16N4O3/c1-8(16)9-7-15(11(18)12-10(9)17)14-5-3-13(2)4-6-14/h7H,3-6H2,1-2H3,(H,12,17,18)/p+1.
What are the key properties of 5-acetyl-1-(4-methylpiperazin-4-ium-1-yl)pyrimidine-2,4-dione?
5-acetyl-1-(4-methylpiperazin-4-ium-1-yl)pyrimidine-2,4-dione has a molecular weight of 253.28 g/mol, XLogP of -2.79, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-1-(4-methylpiperazin-4-ium-1-yl)pyrimidine-2,4-dione is sourced from PubChem (CID 6987062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).